N-[(2-methylphenyl)methyl]-1-(1-phenothiazin-10-ylpropyl)pyrrolidin-1-ium-1-carboxamide

Systemtic Name: N-[(2-methylphenyl)methyl]-1-(1-phenothiazin-10-ylpropyl)pyrrolidin-1-ium-1-carboxamide Openeye Name: N-(o-tolylmethyl)-1-(1-phenothiazin-10-ylpropyl)pyrrolidin-1-ium-1-carboxamide CAS Name: N-[(2-methylphenyl)methyl]-1-[1-(10-phenothiazinyl)propyl]-1-pyrrolidin-1-iumcarboxamide IUPAC Name: N-[(2-methylphenyl)methyl]-1-(1-phenothiazin-10-ylpropyl)pyrrolidin-1-ium-1-carboxamide Traditional Name: N-(2-methylbenzyl)-1-(1-phenothiazin-10-ylpropyl)pyrrolidin-1-ium-1-carboxamide Formula: C28H32N3OS+ MolecularWeight: 458.63818

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C2=CC=CC=C2SC3=CC=CC=C31)[N+]4(CCCC4)C(=O)NCC5=CC=CC=C5C

Isomeric SMILES

CCC(N1C2=CC=CC=C2SC3=CC=CC=C31)[N+]4(CCCC4)C(=O)NCC5=CC=CC=C5C

InChI

InChI=1S/C28H31N3OS/c1-3-27(30-23-14-6-8-16-25(23)33-26-17-9-7-15-24(26)30)31(18-10-11-19-31)28(32)29-20-22-13-5-4-12-21(22)2/h4-9,12-17,27H,3,10-11,18-20H2,1-2H3/p+1