[(3S)-1-[3-(1H-indol-3-yl)propanoyl]piperidin-3-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(3S)-1-[3-(1H-indol-3-yl)propanoyl]piperidin-3-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3S)-1-[3-(1H-indol-3-yl)propanoyl]-3-piperidyl]-methyl-ammonium CAS Name: [(3S)-1-[3-(1H-indol-3-yl)-1-oxopropyl]-3-piperidinyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3S)-1-[3-(1H-indol-3-yl)propanoyl]piperidin-3-yl]-methylazanium Traditional Name: benzyl-[(3S)-1-[3-(1H-indol-3-yl)propanoyl]-3-piperidyl]-methyl-ammonium Formula: C24H30N3O+ MolecularWeight: 376.5145

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)C(=O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C24H29N3O/c1-26(17-19-8-3-2-4-9-19)21-10-7-15-27(18-21)24(28)14-13-20-16-25-23-12-6-5-11-22(20)23/h2-6,8-9,11-12,16,21,25H,7,10,13-15,17-18H2,1H3/p+1/t21-/m0/s1