(2,5-dimethylthiophen-3-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: (2,5-dimethylthiophen-3-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (2,5-dimethyl-3-thienyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone CAS Name: (2,5-dimethyl-3-thiophenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (2,5-dimethylthiophen-3-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Traditional Name: (2,5-dimethyl-3-thienyl)-(4-p-anisyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H26N2O2S/c1-15-13-19(16(2)25-15)20(23)22-10-4-9-21(11-12-22)14-17-5-7-18(24-3)8-6-17/h5-8,13H,4,9-12,14H2,1-3H3/p+1