N-(2-azanyl-3-methyl-pentanoyl)-1-methyl-1-phenacyl-N-(phenylmethyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: N-(2-azanyl-3-methyl-pentanoyl)-1-methyl-1-phenacyl-N-(phenylmethyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: N-(2-amino-3-methyl-pentanoyl)-N-benzyl-1-methyl-1-phenacyl-pyrrolidin-1-ium-2-carboxamide CAS Name: N-(2-amino-3-methyl-1-oxopentyl)-1-methyl-1-phenacyl-N-(phenylmethyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: N-(2-amino-3-methylpentanoyl)-N-benzyl-1-methyl-1-phenacylpyrrolidin-1-ium-2-carboxamide Traditional Name: N-(2-amino-3-methyl-pentanoyl)-N-benzyl-1-methyl-1-phenacyl-pyrrolidin-1-ium-2-carboxamide Formula: C27H36N3O3+ MolecularWeight: 450.59304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(CC1=CC=CC=C1)C(=O)C2CCC[N+]2(C)CC(=O)C3=CC=CC=C3)N

Isomeric SMILES

CCC(C)C(C(=O)N(CC1=CC=CC=C1)C(=O)C2CCC[N+]2(C)CC(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C27H36N3O3/c1-4-20(2)25(28)27(33)29(18-21-12-7-5-8-13-21)26(32)23-16-11-17-30(23,3)19-24(31)22-14-9-6-10-15-22/h5-10,12-15,20,23,25H,4,11,16-19,28H2,1-3H3/q+1