[4-(azepan-1-yl)-1-propyl-piperidin-1-ium-4-yl]methylazanium

Systemtic Name: [4-(azepan-1-yl)-1-propyl-piperidin-1-ium-4-yl]methylazanium Openeye Name: [4-(azepan-1-yl)-1-propyl-piperidin-1-ium-4-yl]methylammonium CAS Name: [4-(1-azepanyl)-1-propyl-4-piperidin-1-iumyl]methylammonium IUPAC Name: [4-(azepan-1-yl)-1-propylpiperidin-1-ium-4-yl]methylazanium Traditional Name: [4-(azepan-1-yl)-1-propyl-piperidin-1-ium-4-yl]methylammonium Formula: C15H33N3+2 MolecularWeight: 255.44262

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)(C[NH3+])N2CCCCCC2

Isomeric SMILES

CCC[NH+]1CCC(CC1)(C[NH3+])N2CCCCCC2

InChI

InChI=1S/C15H31N3/c1-2-9-17-12-7-15(14-16,8-13-17)18-10-5-3-4-6-11-18/h2-14,16H2,1H3/p+2