1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propan-1-one CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-3-[4-(2-thiazolyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-3-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propan-1-one Formula: C21H30N5O2S+ MolecularWeight: 416.5602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC[NH+]3CCN(CC3)C4=NC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC[NH+]3CCN(CC3)C4=NC=CS4

InChI

InChI=1S/C21H29N5O2S/c1-28-19-4-2-18(3-5-19)24-13-15-25(16-14-24)20(27)6-8-23-9-11-26(12-10-23)21-22-7-17-29-21/h2-5,7,17H,6,8-16H2,1H3/p+1