(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-carboxamide Formula: C27H29N4O+ MolecularWeight: 425.54536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C27H28N4O/c1-19-7-4-12-24(28-19)18-31-14-6-10-22(17-31)27(32)29-23-11-5-9-20(15-23)26-16-21-8-2-3-13-25(21)30-26/h2-5,7-9,11-13,15-16,22,30H,6,10,14,17-18H2,1H3,(H,29,32)/p+1/t22-/m0/s1