(2S)-N-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propyl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propyl]piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propyl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propyl]piperazin-1-ium-1-yl]propionamide Formula: C21H34N3O2+ MolecularWeight: 360.51356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCCN2CC[NH+](CC2)C(C)C(=O)NC3CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCCN2CC[NH+](CC2)[C@@H](C)C(=O)NC3CC3)C

InChI

InChI=1S/C21H33N3O2/c1-16-5-8-20(15-17(16)2)26-14-4-9-23-10-12-24(13-11-23)18(3)21(25)22-19-6-7-19/h5,8,15,18-19H,4,6-7,9-14H2,1-3H3,(H,22,25)/p+1/t18-/m0/s1