(4-aminocarbonylphenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium

Systemtic Name: (4-aminocarbonylphenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Openeye Name: (4-carbamoylphenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium CAS Name: (4-carbamoylphenyl)methyl-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]ammonium IUPAC Name: (4-carbamoylphenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Traditional Name: (4-carbamoylbenzyl)-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC[NH2+]CC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC[NH2+]CC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C17H27N3O/c1-14-5-2-3-11-20(14)12-4-10-19-13-15-6-8-16(9-7-15)17(18)21/h6-9,14,19H,2-5,10-13H2,1H3,(H2,18,21)/p+2/t14-/m0/s1