methyl-(phenylmethyl)-[3-(piperidin-1-ium-4-ylcarbonylamino)propyl]azanium

Systemtic Name: methyl-(phenylmethyl)-[3-(piperidin-1-ium-4-ylcarbonylamino)propyl]azanium Openeye Name: benzyl-methyl-[3-(piperidin-1-ium-4-carbonylamino)propyl]ammonium CAS Name: methyl-[3-[[oxo(4-piperidin-1-iumyl)methyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-(piperidin-1-ium-4-carbonylamino)propyl]azanium Traditional Name: benzyl-methyl-[3-(piperidin-1-ium-4-carbonylamino)propyl]ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1CC[NH2+]CC1)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCCNC(=O)C1CC[NH2+]CC1)CC2=CC=CC=C2

InChI

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