N-[(4-nitrophenyl)methyl]-1-propan-2-yl-piperidin-1-ium-4-amine

Systemtic Name: N-[(4-nitrophenyl)methyl]-1-propan-2-yl-piperidin-1-ium-4-amine Openeye Name: 1-isopropyl-N-[(4-nitrophenyl)methyl]piperidin-1-ium-4-amine CAS Name: N-[(4-nitrophenyl)methyl]-1-propan-2-yl-4-piperidin-1-iumamine IUPAC Name: N-[(4-nitrophenyl)methyl]-1-propan-2-ylpiperidin-1-ium-4-amine Traditional Name: (1-isopropylpiperidin-1-ium-4-yl)-(4-nitrobenzyl)amine Formula: C15H24N3O2+ MolecularWeight: 278.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H23N3O2/c1-12(2)17-9-7-14(8-10-17)16-11-13-3-5-15(6-4-13)18(19)20/h3-6,12,14,16H,7-11H2,1-2H3/p+1