[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-(1-thiophen-2-ylcarbonylpiperidin-4-yl)methanone

Systemtic Name: [4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-(1-thiophen-2-ylcarbonylpiperidin-4-yl)methanone Openeye Name: [4-(4-pyridylmethyl)piperazin-4-ium-1-yl]-[1-(thiophene-2-carbonyl)-4-piperidyl]methanone CAS Name: [1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone Traditional Name: [4-(4-pyridylmethyl)piperazin-4-ium-1-yl]-[1-(2-thenoyl)-4-piperidyl]methanone Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H26N4O2S/c26-20(18-5-9-24(10-6-18)21(27)19-2-1-15-28-19)25-13-11-23(12-14-25)16-17-3-7-22-8-4-17/h1-4,7-8,15,18H,5-6,9-14,16H2/p+1