1-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(1R)-3-(1H-indol-3-yl)-1-methyl-propyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(1R)-3-(1H-indol-3-yl)-1-methyl-propyl]-4-p-anisyl-1,4-diazepan-1-ium-5-one Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CNC2=CC=CC=C21)[NH+]3CCC(=O)N(CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

C[C@H](CCC1=CNC2=CC=CC=C21)[NH+]3CCC(=O)N(CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H31N3O2/c1-19(7-10-21-17-26-24-6-4-3-5-23(21)24)27-14-13-25(29)28(16-15-27)18-20-8-11-22(30-2)12-9-20/h3-6,8-9,11-12,17,19,26H,7,10,13-16,18H2,1-2H3/p+1/t19-/m1/s1