[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-phenyl]-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-phenyl]-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-phenyl]-[4-(2-furylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-phenyl]-[4-(2-furfuryl)piperazin-4-ium-1-yl]methanone Formula: C26H30N3O5S+ MolecularWeight: 496.5985

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CO3)S(=O)(=O)N4CCCC5=CC=CC=C54

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CO3)S(=O)(=O)N4CCCC5=CC=CC=C54

InChI

InChI=1S/C26H29N3O5S/c1-33-24-11-10-21(26(30)28-15-13-27(14-16-28)19-22-8-5-17-34-22)18-25(24)35(31,32)29-12-4-7-20-6-2-3-9-23(20)29/h2-3,5-6,8-11,17-18H,4,7,12-16,19H2,1H3/p+1