(3S)-N-[2-methyl-4-(3-methylbutoxy)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[2-methyl-4-(3-methylbutoxy)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(4-isopentyloxy-2-methyl-phenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[2-methyl-4-(3-methylbutoxy)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[2-methyl-4-(3-methylbutoxy)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(4-isoamoxy-2-methyl-phenyl)piperidin-1-ium-3-carboxamide Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCC(C)C)NC(=O)C2CCC[NH2+]C2

Isomeric SMILES

CC1=C(C=CC(=C1)OCCC(C)C)NC(=O)[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C18H28N2O2/c1-13(2)8-10-22-16-6-7-17(14(3)11-16)20-18(21)15-5-4-9-19-12-15/h6-7,11,13,15,19H,4-5,8-10,12H2,1-3H3,(H,20,21)/p+1/t15-/m0/s1