3-nitro-4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]benzaldehyde

Systemtic Name: 3-nitro-4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]benzaldehyde Openeye Name: 3-nitro-4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]benzaldehyde CAS Name: 3-nitro-4-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]benzaldehyde IUPAC Name: 3-nitro-4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]benzaldehyde Traditional Name: 3-nitro-4-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]benzaldehyde Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O3/c23-14-17-7-8-18(19(11-17)22(24)25)20-12-15-3-5-16(6-4-15)13-21-9-1-2-10-21/h3-8,11,14,20H,1-2,9-10,12-13H2/p+1