N-[2-[3-[[1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-1-yl]amino]-2-oxidanyl-propoxy]phenyl]benzamide

Systemtic Name: N-[2-[3-[[1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-1-yl]amino]-2-oxidanyl-propoxy]phenyl]benzamide Openeye Name: N-[2-[3-[[1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-1-yl]amino]-2-hydroxy-propoxy]phenyl]benzamide CAS Name: N-[2-[3-[[1-[(4-chlorophenyl)methyl]-1-pyrrolidin-1-iumyl]amino]-2-hydroxypropoxy]phenyl]benzamide IUPAC Name: N-[2-[3-[[1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-1-yl]amino]-2-hydroxypropoxy]phenyl]benzamide Traditional Name: N-[2-[3-[[1-(4-chlorobenzyl)pyrrolidin-1-ium-1-yl]amino]-2-hydroxy-propoxy]phenyl]benzamide Formula: C27H31ClN3O3+ MolecularWeight: 481.00634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CC2=CC=C(C=C2)Cl)NCC(COC3=CC=CC=C3NC(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1CC[N+](C1)(CC2=CC=C(C=C2)Cl)NCC(COC3=CC=CC=C3NC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C27H30ClN3O3/c28-23-14-12-21(13-15-23)19-31(16-6-7-17-31)29-18-24(32)20-34-26-11-5-4-10-25(26)30-27(33)22-8-2-1-3-9-22/h1-5,8-15,24,29,32H,6-7,16-20H2/p+1