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

Systemtic Name: (2-aminocarbonylphenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Openeye Name: (2-carbamoylphenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium CAS Name: (2-carbamoylphenyl)methyl-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]ammonium IUPAC Name: (2-carbamoylphenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Traditional Name: (2-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=CC=C2C(=O)N

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC[NH2+]CC2=CC=CC=C2C(=O)N

InChI

InChI=1S/C17H27N3O/c1-14-7-4-5-11-20(14)12-6-10-19-13-15-8-2-3-9-16(15)17(18)21/h2-3,8-9,14,19H,4-7,10-13H2,1H3,(H2,18,21)/p+2/t14-/m0/s1