(3S)-N-[(2-methyl-1H-indol-5-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2-methyl-1H-indol-5-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-[(2-methyl-1H-indol-5-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide CAS Name: (3S)-N-[(2-methyl-1H-indol-5-yl)methyl]-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2-methyl-1H-indol-5-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-[(2-methyl-1H-indol-5-yl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)nipecotamide Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1)C=CC(=C2)CNC(=O)C3CCCN(C3)C4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC2=C(N1)C=CC(=C2)CNC(=O)[C@H]3CCCN(C3)C4CC[NH+](CC4)C

InChI

InChI=1S/C22H32N4O/c1-16-12-19-13-17(5-6-21(19)24-16)14-23-22(27)18-4-3-9-26(15-18)20-7-10-25(2)11-8-20/h5-6,12-13,18,20,24H,3-4,7-11,14-15H2,1-2H3,(H,23,27)/p+1/t18-/m0/s1