1-[(S)-cyclopropyl-(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(S)-cyclopropyl-(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium Openeye Name: 1-[(S)-cyclopropyl-(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium CAS Name: 1-[(S)-cyclopropyl-(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(S)-cyclopropyl-(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-[(S)-cyclopropyl-(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C2CC2)N3CC[NH2+]CC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)[C@H](C2CC2)N3CC[NH2+]CC3)OC

InChI

InChI=1S/C16H24N2O/c1-12-11-14(5-6-15(12)19-2)16(13-3-4-13)18-9-7-17-8-10-18/h5-6,11,13,16-17H,3-4,7-10H2,1-2H3/p+1/t16-/m0/s1