1-[(S)-(4-tert-butylphenyl)-cyclopropyl-methyl]piperazin-4-ium

Systemtic Name: 1-[(S)-(4-tert-butylphenyl)-cyclopropyl-methyl]piperazin-4-ium Openeye Name: 1-[(S)-(4-tert-butylphenyl)-cyclopropyl-methyl]piperazin-4-ium CAS Name: 1-[(S)-(4-tert-butylphenyl)-cyclopropylmethyl]piperazin-4-ium IUPAC Name: 1-[(S)-(4-tert-butylphenyl)-cyclopropylmethyl]piperazin-4-ium Traditional Name: 1-[(S)-(4-tert-butylphenyl)-cyclopropyl-methyl]piperazin-4-ium Formula: C18H29N2+ MolecularWeight: 273.43626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2/c1-18(2,3)16-8-6-15(7-9-16)17(14-4-5-14)20-12-10-19-11-13-20/h6-9,14,17,19H,4-5,10-13H2,1-3H3/p+1/t17-/m0/s1