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

Systemtic Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O3/c1-16-5-10-21(28-4)20(15-16)23-22(26)17(2)24-11-13-25(14-12-24)18-6-8-19(27-3)9-7-18/h5-10,15,17H,11-14H2,1-4H3,(H,23,26)/p+1/t17-/m0/s1