[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methanone

Systemtic Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methanone Openeye Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methanone CAS Name: [4-(2-ethoxyphenyl)-1-piperazinyl]-[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methanone IUPAC Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methanone Traditional Name: (4-o-phenetylpiperazino)-[1-(2-thenyl)piperidin-1-ium-4-yl]methanone Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C23H31N3O2S/c1-2-28-22-8-4-3-7-21(22)25-13-15-26(16-14-25)23(27)19-9-11-24(12-10-19)18-20-6-5-17-29-20/h3-8,17,19H,2,9-16,18H2,1H3/p+1