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4-[4-[4-[4-(phenylmethyl)piperidin-1-ium-1-yl]butoxy]phenyl]butan-2-one
4-[4-[4-[4-(phenylmethyl)piperidin-1-ium-1-yl]butoxy]phenyl]butan-2-one
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Descriptors Computed from Structure
Canonical SMILES:
CC(=O)CCC1=CC=C(C=C1)OCCCC[NH+]2CCC(CC2)CC3=CC=CC=C3
Isomeric SMILES
CC(=O)CCC1=CC=C(C=C1)OCCCC[NH+]2CCC(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C26H35NO2/c1-22(28)9-10-23-11-13-26(14-12-23)29-20-6-5-17-27-18-15-25(16-19-27)21-24-7-3-2-4-8-24/h2-4,7-8,11-14,25H,5-6,9-10,15-21H2,1H3/p+1
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