4-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-1-sulfonamide

Systemtic Name: 4-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-1-sulfonamide Openeye Name: 4-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-1-sulfonamide CAS Name: 4-methyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1-piperidinesulfonamide IUPAC Name: 4-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-1-sulfonamide Traditional Name: 4-methyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]piperidine-1-sulfonamide Formula: C18H30N3O2S+ MolecularWeight: 352.5147

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C18H29N3O2S/c1-16-8-12-21(13-9-16)24(22,23)19-14-17-4-6-18(7-5-17)15-20-10-2-3-11-20/h4-7,16,19H,2-3,8-15H2,1H3/p+1