3-nitro-4-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]benzaldehyde

Systemtic Name: 3-nitro-4-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]benzaldehyde Openeye Name: 4-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-nitro-benzaldehyde CAS Name: 3-nitro-4-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]benzaldehyde IUPAC Name: 4-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-nitrobenzaldehyde Traditional Name: 4-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-nitro-benzaldehyde Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=C(C=C(C=C2)C=O)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC2=C(C=C(C=C2)C=O)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O3/c23-14-16-6-7-18(19(12-16)22(24)25)20-17-8-10-21(11-9-17)13-15-4-2-1-3-5-15/h1-7,12,14,17,20H,8-11,13H2/p+1