[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-phenyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C26H29N4O4S+ MolecularWeight: 493.59786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)S(=O)(=O)N4CCCC5=CC=CC=C54

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)S(=O)(=O)N4CCCC5=CC=CC=C54

InChI

InChI=1S/C26H28N4O4S/c1-34-23-12-11-21(26(31)29-17-15-28(16-18-29)25-10-4-5-13-27-25)19-24(23)35(32,33)30-14-6-8-20-7-2-3-9-22(20)30/h2-5,7,9-13,19H,6,8,14-18H2,1H3/p+1