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

Systemtic Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(1-thiophen-2-ylcarbonylpiperidin-4-yl)methanone Openeye Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-[1-(thiophene-2-carbonyl)-4-piperidyl]methanone CAS Name: [1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone Traditional Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-[1-(2-thenoyl)-4-piperidyl]methanone Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H29N3O3S/c27-22(19-8-10-25(11-9-19)23(28)21-7-4-18-30-21)26-14-12-24(13-15-26)16-17-29-20-5-2-1-3-6-20/h1-7,18-19H,8-17H2/p+1