(3S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[2-(2-methyl-1-indolyl)ethyl]-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C23H36N4O+2 MolecularWeight: 384.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2N1CCNC(=O)C3CCC[NH+](C3)C4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC2=CC=CC=C2N1CCNC(=O)[C@H]3CCC[NH+](C3)C4CC[NH+](CC4)C

InChI

InChI=1S/C23H34N4O/c1-18-16-19-6-3-4-8-22(19)27(18)15-11-24-23(28)20-7-5-12-26(17-20)21-9-13-25(2)14-10-21/h3-4,6,8,16,20-21H,5,7,9-15,17H2,1-2H3,(H,24,28)/p+2/t20-/m0/s1