[1-[(4-chlorophenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]methyl-propan-2-yl-azanium

Systemtic Name: [1-[(4-chlorophenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]methyl-propan-2-yl-azanium Openeye Name: [1-[(4-chlorophenyl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]methyl-isopropyl-ammonium CAS Name: [1-[(4-chlorophenyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]methyl-propan-2-ylammonium IUPAC Name: [1-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-1-ium-4-yl]methyl-propan-2-ylazanium Traditional Name: [1-(4-chlorobenzyl)-4-hydroxy-piperidin-1-ium-4-yl]methyl-isopropyl-ammonium Formula: C16H27ClN2O+2 MolecularWeight: 298.85138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC1(CC[NH+](CC1)CC2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC(C)[NH2+]CC1(CC[NH+](CC1)CC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C16H25ClN2O/c1-13(2)18-12-16(20)7-9-19(10-8-16)11-14-3-5-15(17)6-4-14/h3-6,13,18,20H,7-12H2,1-2H3/p+2