N,N-diethyl-6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide

Systemtic Name: N,N-diethyl-6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: N,N-diethyl-6-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide CAS Name: N,N-diethyl-6-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]-3-pyridin-1-iumsulfonamide IUPAC Name: N,N-diethyl-6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Traditional Name: N,N-diethyl-6-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Formula: C23H36N4O2S+2 MolecularWeight: 432.62254

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H34N4O2S/c1-5-27(6-2)30(28,29)22-11-12-23(24-17-22)26-15-13-25(14-16-26)18-20-7-9-21(10-8-20)19(3)4/h7-12,17,19H,5-6,13-16,18H2,1-4H3/p+2