[4-(azepan-1-yl)-1-propan-2-yl-piperidin-1-ium-4-yl]methylazanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H31N3/c1-14(2)17-11-7-15(13-16,8-12-17)18-9-5-3-4-6-10-18/h14H,3-13,16H2,1-2H3/p+2