3-[3-azanyl-4-(4-methylpiperidin-1-yl)phenyl]propyl-[(1S,2R)-2-methylcyclohexyl]azanium

Systemtic Name: 3-[3-azanyl-4-(4-methylpiperidin-1-yl)phenyl]propyl-[(1S,2R)-2-methylcyclohexyl]azanium Openeye Name: 3-[3-amino-4-(4-methyl-1-piperidyl)phenyl]propyl-[(1S,2R)-2-methylcyclohexyl]ammonium CAS Name: 3-[3-amino-4-(4-methyl-1-piperidinyl)phenyl]propyl-[(1S,2R)-2-methylcyclohexyl]ammonium IUPAC Name: 3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]propyl-[(1S,2R)-2-methylcyclohexyl]azanium Traditional Name: 3-[3-amino-4-(4-methylpiperidino)phenyl]propyl-[(1S,2R)-2-methylcyclohexyl]ammonium Formula: C22H38N3+ MolecularWeight: 344.55722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)CCC[NH2+]C3CCCCC3C)N

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1[NH2+]CCCC2=CC(=C(C=C2)N3CCC(CC3)C)N

InChI

InChI=1S/C22H37N3/c1-17-11-14-25(15-12-17)22-10-9-19(16-20(22)23)7-5-13-24-21-8-4-3-6-18(21)2/h9-10,16-18,21,24H,3-8,11-15,23H2,1-2H3/p+1/t18-,21+/m1/s1