(3S)-N-(2-indol-1-ylethyl)-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2CCCC(C2)C(=O)NCCN3C=CC4=CC=CC=C43

Isomeric SMILES

C[NH+]1CCC(CC1)N2CCC[C@@H](C2)C(=O)NCCN3C=CC4=CC=CC=C43

InChI

InChI=1S/C22H32N4O/c1-24-13-9-20(10-14-24)26-12-4-6-19(17-26)22(27)23-11-16-25-15-8-18-5-2-3-7-21(18)25/h2-3,5,7-8,15,19-20H,4,6,9-14,16-17H2,1H3,(H,23,27)/p+1/t19-/m0/s1