1-[(S)-cyclopropyl-(2,5-dimethylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(S)-cyclopropyl-(2,5-dimethylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(S)-cyclopropyl-(2,5-dimethylphenyl)methyl]piperazin-4-ium CAS Name: 1-[(S)-cyclopropyl-(2,5-dimethylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(S)-cyclopropyl-(2,5-dimethylphenyl)methyl]piperazin-4-ium Traditional Name: 1-[(S)-cyclopropyl-(2,5-dimethylphenyl)methyl]piperazin-4-ium Formula: C16H25N2+ MolecularWeight: 245.3831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2/c1-12-3-4-13(2)15(11-12)16(14-5-6-14)18-9-7-17-8-10-18/h3-4,11,14,16-17H,5-10H2,1-2H3/p+1/t16-/m0/s1