1-(azepan-1-yl)-2-[4-(5-morpholin-4-yl-4-phenyl-thiophen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(5-morpholin-4-yl-4-phenyl-thiophen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(5-morpholino-4-phenyl-thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[[5-(4-morpholinyl)-4-phenyl-2-thiophenyl]-oxomethyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(5-morpholino-4-phenyl-thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethanone Formula: C27H37N4O3S+ MolecularWeight: 497.67268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(S3)N4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(S3)N4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H36N4O3S/c32-25(29-10-6-1-2-7-11-29)21-28-12-14-30(15-13-28)26(33)24-20-23(22-8-4-3-5-9-22)27(35-24)31-16-18-34-19-17-31/h3-5,8-9,20H,1-2,6-7,10-19,21H2/p+1