1-[(4-butoxy-3-chloranyl-5-methoxy-phenyl)methyl]piperidin-1-ium-4-amine

Systemtic Name: 1-[(4-butoxy-3-chloranyl-5-methoxy-phenyl)methyl]piperidin-1-ium-4-amine Openeye Name: 1-[(4-butoxy-3-chloro-5-methoxy-phenyl)methyl]piperidin-1-ium-4-amine CAS Name: 1-[(4-butoxy-3-chloro-5-methoxyphenyl)methyl]-4-piperidin-1-iumamine IUPAC Name: 1-[(4-butoxy-3-chloro-5-methoxyphenyl)methyl]piperidin-1-ium-4-amine Traditional Name: [1-(4-butoxy-3-chloro-5-methoxy-benzyl)piperidin-1-ium-4-yl]amine Formula: C17H28ClN2O2+ MolecularWeight: 327.86942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C[NH+]2CCC(CC2)N)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C[NH+]2CCC(CC2)N)OC

InChI

InChI=1S/C17H27ClN2O2/c1-3-4-9-22-17-15(18)10-13(11-16(17)21-2)12-20-7-5-14(19)6-8-20/h10-11,14H,3-9,12,19H2,1-2H3/p+1