(3S)-N-cyclopropyl-1-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-(1H-indol-3-ylmethyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-(1H-indol-3-ylmethyl)-4-piperidinyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-(1H-indol-3-ylmethyl)-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C23H33N4O+ MolecularWeight: 381.53432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)CC3=CNC4=CC=CC=C43)C(=O)NC5CC5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)CC3=CNC4=CC=CC=C43)C(=O)NC5CC5

InChI

InChI=1S/C23H32N4O/c28-23(25-19-7-8-19)17-4-3-11-27(16-17)20-9-12-26(13-10-20)15-18-14-24-22-6-2-1-5-21(18)22/h1-2,5-6,14,17,19-20,24H,3-4,7-13,15-16H2,(H,25,28)/p+1/t17-/m0/s1