[(4S)-4-(4-methoxy-3-methyl-phenyl)-4-piperidin-1-ium-1-yl-butyl]azanium

Systemtic Name: [(4S)-4-(4-methoxy-3-methyl-phenyl)-4-piperidin-1-ium-1-yl-butyl]azanium Openeye Name: [(4S)-4-(4-methoxy-3-methyl-phenyl)-4-piperidin-1-ium-1-yl-butyl]ammonium CAS Name: [(4S)-4-(4-methoxy-3-methylphenyl)-4-(1-piperidin-1-iumyl)butyl]ammonium IUPAC Name: [(4S)-4-(4-methoxy-3-methylphenyl)-4-piperidin-1-ium-1-ylbutyl]azanium Traditional Name: [(4S)-4-(4-methoxy-3-methyl-phenyl)-4-piperidin-1-ium-1-yl-butyl]ammonium Formula: C17H30N2O+2 MolecularWeight: 278.4329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(CCC[NH3+])[NH+]2CCCCC2)OC

Isomeric SMILES

CC1=C(C=CC(=C1)[C@H](CCC[NH3+])[NH+]2CCCCC2)OC

InChI

InChI=1S/C17H28N2O/c1-14-13-15(8-9-17(14)20-2)16(7-6-10-18)19-11-4-3-5-12-19/h8-9,13,16H,3-7,10-12,18H2,1-2H3/p+2/t16-/m0/s1