[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperidin-1-yl)methanone

Systemtic Name: [1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperidin-1-yl)methanone Openeye Name: [1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]-(4-methyl-1-piperidyl)methanone CAS Name: [1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-(4-methyl-1-piperidinyl)methanone IUPAC Name: [1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperidin-1-yl)methanone Traditional Name: [1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-4-yl]-(4-methylpiperidino)methanone Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N3CCC(CC3)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N3CCC(CC3)C)O

InChI

InChI=1S/C21H32N2O3/c1-3-26-20-14-17(4-5-19(20)24)15-22-10-8-18(9-11-22)21(25)23-12-6-16(2)7-13-23/h4-5,14,16,18,24H,3,6-13,15H2,1-2H3/p+1