(6S)-4-(1H-indol-3-ylmethyl)-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6S)-4-(1H-indol-3-ylmethyl)-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6S)-4-(1H-indol-3-ylmethyl)-1-isobutyl-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6S)-4-(1H-indol-3-ylmethyl)-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6S)-4-(1H-indol-3-ylmethyl)-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6S)-4-(1H-indol-3-ylmethyl)-1-isobutyl-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(C[NH+](CC1=O)CC2=CNC3=CC=CC=C32)OCC4=CC=NC=C4

Isomeric SMILES

CC(C)CN1C[C@@H](C[NH+](CC1=O)CC2=CNC3=CC=CC=C32)OCC4=CC=NC=C4

InChI

InChI=1S/C24H30N4O2/c1-18(2)12-28-15-21(30-17-19-7-9-25-10-8-19)14-27(16-24(28)29)13-20-11-26-23-6-4-3-5-22(20)23/h3-11,18,21,26H,12-17H2,1-2H3/p+1/t21-/m1/s1