1-[(1S,3R)-3-methylcyclohexyl]-4-(3-phenylpropyl)piperazine-1,4-diium

Systemtic Name: 1-[(1S,3R)-3-methylcyclohexyl]-4-(3-phenylpropyl)piperazine-1,4-diium Openeye Name: 1-[(1S,3R)-3-methylcyclohexyl]-4-(3-phenylpropyl)piperazine-1,4-diium CAS Name: 1-[(1S,3R)-3-methylcyclohexyl]-4-(3-phenylpropyl)piperazine-1,4-diium IUPAC Name: 1-[(1S,3R)-3-methylcyclohexyl]-4-(3-phenylpropyl)piperazine-1,4-diium Traditional Name: 1-[(1S,3R)-3-methylcyclohexyl]-4-(3-phenylpropyl)piperazine-1,4-diium Formula: C20H34N2+2 MolecularWeight: 302.49736

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CC[NH+](CC2)CCCC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CCC[C@@H](C1)[NH+]2CC[NH+](CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C20H32N2/c1-18-7-5-11-20(17-18)22-15-13-21(14-16-22)12-6-10-19-8-3-2-4-9-19/h2-4,8-9,18,20H,5-7,10-17H2,1H3/p+2/t18-,20+/m1/s1