[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(1-thiophen-2-ylcarbonylpiperidin-4-yl)methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(1-thiophen-2-ylcarbonylpiperidin-4-yl)methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-[1-(thiophene-2-carbonyl)-4-piperidyl]methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-[1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone Traditional Name: (4-p-anisyl-1,4-diazepan-4-ium-1-yl)-[1-(2-thenoyl)-4-piperidyl]methanone Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C24H31N3O3S/c1-30-21-7-5-19(6-8-21)18-25-11-3-12-26(16-15-25)23(28)20-9-13-27(14-10-20)24(29)22-4-2-17-31-22/h2,4-8,17,20H,3,9-16,18H2,1H3/p+1