(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (1-naphthalen-2-ylsulfonylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [1-(2-naphthylsulfonyl)-4-piperidyl]-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [1-(2-naphthalenylsulfonyl)-4-piperidinyl]-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (1-naphthalen-2-ylsulfonylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [1-(2-naphthylsulfonyl)-4-piperidyl]-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C25H30N3O3S2+ MolecularWeight: 484.654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CSC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CSC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H29N3O3S2/c29-25(27-14-12-26(13-15-27)18-20-9-16-32-19-20)22-7-10-28(11-8-22)33(30,31)24-6-5-21-3-1-2-4-23(21)17-24/h1-6,9,16-17,19,22H,7-8,10-15,18H2/p+1