(2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-phenoxyethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propionamide Formula: C23H31ClN3O3+ MolecularWeight: 432.96354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)[NH+]2CCN(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@H](C)[NH+]2CCN(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C23H30ClN3O3/c1-17-15-21(22(29-3)16-20(17)24)25-23(28)18(2)27-11-9-26(10-12-27)13-14-30-19-7-5-4-6-8-19/h4-8,15-16,18H,9-14H2,1-3H3,(H,25,28)/p+1/t18-/m0/s1