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

Systemtic Name: (3R)-1-[2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-[[4-(dimethylamino)benzyl]-methyl-amino]-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C18H29N4O2+ MolecularWeight: 333.44846

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(C)C(=O)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(C)C(=O)C[NH+]2CCC[C@H](C2)C(=O)N

InChI

InChI=1S/C18H28N4O2/c1-20(2)16-8-6-14(7-9-16)11-21(3)17(23)13-22-10-4-5-15(12-22)18(19)24/h6-9,15H,4-5,10-13H2,1-3H3,(H2,19,24)/p+1/t15-/m1/s1