cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]azanium

Systemtic Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethyl]ammonium CAS Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]azanium Traditional Name: cyclopropyl-[2-keto-2-[4-(2-thenyl)piperazin-4-ium-1-yl]ethyl]-p-anisyl-ammonium Formula: C22H31N3O2S+2 MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CC(=O)N2CC[NH+](CC2)CC3=CC=CS3)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CC(=O)N2CC[NH+](CC2)CC3=CC=CS3)C4CC4

InChI

InChI=1S/C22H29N3O2S/c1-27-20-8-4-18(5-9-20)15-25(19-6-7-19)17-22(26)24-12-10-23(11-13-24)16-21-3-2-14-28-21/h2-5,8-9,14,19H,6-7,10-13,15-17H2,1H3/p+2