[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-(o-tolylmethyl)piperazin-4-ium-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-[3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(2-methylbenzyl)piperazin-4-ium-1-yl]-(3-pyrrolidinosulfonylphenyl)methanone Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H29N3O3S/c1-19-7-2-3-8-21(19)18-24-13-15-25(16-14-24)23(27)20-9-6-10-22(17-20)30(28,29)26-11-4-5-12-26/h2-3,6-10,17H,4-5,11-16,18H2,1H3/p+1