3-methyl-N-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]quinoline-8-sulfonamide

Systemtic Name: 3-methyl-N-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]quinoline-8-sulfonamide Openeye Name: 3-methyl-N-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]quinoline-8-sulfonamide CAS Name: 3-methyl-N-[(2R)-2-(4-phenyl-1-piperazin-1-iumyl)propyl]-8-quinolinesulfonamide IUPAC Name: 3-methyl-N-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]quinoline-8-sulfonamide Traditional Name: 3-methyl-N-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]quinoline-8-sulfonamide Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NCC(C)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NC[C@@H](C)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2S/c1-18-15-20-7-6-10-22(23(20)24-16-18)30(28,29)25-17-19(2)26-11-13-27(14-12-26)21-8-4-3-5-9-21/h3-10,15-16,19,25H,11-14,17H2,1-2H3/p+1/t19-/m1/s1