[(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: [(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: [(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: [(3S)-3-(4-chlorophenyl)-4-methylpentyl]-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: [(3S)-3-(4-chlorophenyl)-4-methylpentyl]-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: [(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C18H31ClN2O+2 MolecularWeight: 326.90454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC[NH2+]CC[NH+]1CCOCC1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)[C@H](CC[NH2+]CC[NH+]1CCOCC1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H29ClN2O/c1-15(2)18(16-3-5-17(19)6-4-16)7-8-20-9-10-21-11-13-22-14-12-21/h3-6,15,18,20H,7-14H2,1-2H3/p+2/t18-/m0/s1