(3R)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[(4-benzyloxyphenyl)methyl-ethyl-amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-[(4-benzoxybenzyl)-ethyl-amino]-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

CCN(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)C[NH+]3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C24H31N3O3/c1-2-27(23(28)17-26-14-6-9-21(16-26)24(25)29)15-19-10-12-22(13-11-19)30-18-20-7-4-3-5-8-20/h3-5,7-8,10-13,21H,2,6,9,14-18H2,1H3,(H2,25,29)/p+1/t21-/m1/s1