3-[(3S)-1-[(1,2-dimethylindol-3-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[(3S)-1-[(1,2-dimethylindol-3-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[(3S)-1-[(1,2-dimethylindol-3-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[(3S)-1-[(1,2-dimethyl-3-indolyl)methyl]-3-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[(3S)-1-[(1,2-dimethylindol-3-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[(3S)-1-[(1,2-dimethylindol-3-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidino-propan-1-one Formula: C23H34N3O+ MolecularWeight: 368.53556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C)C[NH+]3CCCC(C3)CCC(=O)N4CCCC4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)C[NH+]3CCC[C@H](C3)CCC(=O)N4CCCC4

InChI

InChI=1S/C23H33N3O/c1-18-21(20-9-3-4-10-22(20)24(18)2)17-25-13-7-8-19(16-25)11-12-23(27)26-14-5-6-15-26/h3-4,9-10,19H,5-8,11-17H2,1-2H3/p+1/t19-/m0/s1