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

Systemtic Name: [4-(azepan-1-yl)-1-ethyl-piperidin-1-ium-4-yl]methylazanium Openeye Name: [4-(azepan-1-yl)-1-ethyl-piperidin-1-ium-4-yl]methylammonium CAS Name: [4-(1-azepanyl)-1-ethyl-4-piperidin-1-iumyl]methylammonium IUPAC Name: [4-(azepan-1-yl)-1-ethylpiperidin-1-ium-4-yl]methylazanium Traditional Name: [4-(azepan-1-yl)-1-ethyl-piperidin-1-ium-4-yl]methylammonium Formula: C14H31N3+2 MolecularWeight: 241.41604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H29N3/c1-2-16-11-7-14(13-15,8-12-16)17-9-5-3-4-6-10-17/h2-13,15H2,1H3/p+2