1-(1-methylpyrrol-3-yl)sulfonyl-4-(3-phenylpropyl)piperazin-4-ium

Systemtic Name: 1-(1-methylpyrrol-3-yl)sulfonyl-4-(3-phenylpropyl)piperazin-4-ium Openeye Name: 1-(1-methylpyrrol-3-yl)sulfonyl-4-(3-phenylpropyl)piperazin-4-ium CAS Name: 1-[(1-methyl-3-pyrrolyl)sulfonyl]-4-(3-phenylpropyl)piperazin-4-ium IUPAC Name: 1-(1-methylpyrrol-3-yl)sulfonyl-4-(3-phenylpropyl)piperazin-4-ium Traditional Name: 1-(1-methylpyrrol-3-yl)sulfonyl-4-(3-phenylpropyl)piperazin-4-ium Formula: C18H26N3O2S+ MolecularWeight: 348.48294

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CCCC3=CC=CC=C3

Isomeric SMILES

CN1C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C18H25N3O2S/c1-19-11-9-18(16-19)24(22,23)21-14-12-20(13-15-21)10-5-8-17-6-3-2-4-7-17/h2-4,6-7,9,11,16H,5,8,10,12-15H2,1H3/p+1