1-(1-benzothiophen-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-(1-benzothiophen-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-(benzothiophen-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-(1-benzothiophen-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-(1-benzothiophen-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-(benzothiophen-2-ylmethyl)-4-p-anisyl-1,4-diazepan-1-ium-5-one Formula: C22H25N2O2S+ MolecularWeight: 381.5111

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC[NH+](CCC2=O)CC3=CC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC[NH+](CCC2=O)CC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N2O2S/c1-26-19-8-6-17(7-9-19)15-24-13-12-23(11-10-22(24)25)16-20-14-18-4-2-3-5-21(18)27-20/h2-9,14H,10-13,15-16H2,1H3/p+1