(3S)-3-[2-oxidanylidene-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-2-one

Systemtic Name: (3S)-3-[2-oxidanylidene-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-2-one Openeye Name: (3S)-3-[2-oxo-2-[4-(3-pyridyloxy)-1-piperidyl]ethyl]-4-(2-thienylmethyl)piperazin-4-ium-2-one CAS Name: (3S)-3-[2-oxo-2-[4-(3-pyridinyloxy)-1-piperidinyl]ethyl]-4-(thiophen-2-ylmethyl)-2-piperazin-4-iumone IUPAC Name: (3S)-3-[2-oxo-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-2-one Traditional Name: (3S)-3-[2-keto-2-[4-(3-pyridyloxy)piperidino]ethyl]-4-(2-thenyl)piperazin-4-ium-2-one Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CN=CC=C2)C(=O)CC3C(=O)NCC[NH+]3CC4=CC=CS4

Isomeric SMILES

C1CN(CCC1OC2=CN=CC=C2)C(=O)C[C@H]3C(=O)NCC[NH+]3CC4=CC=CS4

InChI

InChI=1S/C21H26N4O3S/c26-20(24-9-5-16(6-10-24)28-17-3-1-7-22-14-17)13-19-21(27)23-8-11-25(19)15-18-4-2-12-29-18/h1-4,7,12,14,16,19H,5-6,8-11,13,15H2,(H,23,27)/p+1/t19-/m0/s1