[(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [(3S)-3-(4-chlorophenyl)-4-methylpentyl]-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(3S)-3-(4-chlorophenyl)-4-methylpentyl]-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C18H31ClN2+2 MolecularWeight: 310.90514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC[NH2+]C1CC[NH+](CC1)C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)[C@H](CC[NH2+]C1CC[NH+](CC1)C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H29ClN2/c1-14(2)18(15-4-6-16(19)7-5-15)8-11-20-17-9-12-21(3)13-10-17/h4-7,14,17-18,20H,8-13H2,1-3H3/p+2/t18-/m0/s1