2-[2-[1-[1-(2-azanyl-3-methyl-butanoyl)pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]ethyl]-1,1-diethyl-indol-1-ium-6-carboximidamide

Systemtic Name: 2-[2-[1-[1-(2-azanyl-3-methyl-butanoyl)pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]ethyl]-1,1-diethyl-indol-1-ium-6-carboximidamide Openeye Name: 2-[2-[1-[1-(2-amino-3-methyl-butanoyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethyl]-1,1-diethyl-indol-1-ium-6-carboxamidine CAS Name: 2-[2-[1-[[1-(2-amino-3-methyl-1-oxobutyl)-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]ethyl]-1,1-diethyl-6-indol-1-iumcarboximidamide IUPAC Name: 2-[2-[1-[1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethyl]-1,1-diethylindol-1-ium-6-carboximidamide Traditional Name: 2-[2-[1-[1-(2-amino-3-methyl-butanoyl)prolyl]pyrrolidin-2-yl]ethyl]-1,1-diethyl-indol-1-ium-6-carboxamidine Formula: C29H45N6O2+ MolecularWeight: 509.7066

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=CC2=C1C=C(C=C2)C(=N)N)CCC3CCCN3C(=O)C4CCCN4C(=O)C(C(C)C)N)CC

Isomeric SMILES

CC[N+]1(C(=CC2=C1C=C(C=C2)C(=N)N)CCC3CCCN3C(=O)C4CCCN4C(=O)C(C(C)C)N)CC

InChI

InChI=1S/C29H45N6O2/c1-5-35(6-2)23(17-20-11-12-21(27(31)32)18-25(20)35)14-13-22-9-7-15-33(22)28(36)24-10-8-16-34(24)29(37)26(30)19(3)4/h11-12,17-19,22,24,26H,5-10,13-16,30H2,1-4H3,(H3,31,32)/q+1