[3-nitro-4-[(1-propylpiperidin-1-ium-4-yl)amino]phenyl]-phenyl-methanone

Systemtic Name: [3-nitro-4-[(1-propylpiperidin-1-ium-4-yl)amino]phenyl]-phenyl-methanone Openeye Name: [3-nitro-4-[(1-propylpiperidin-1-ium-4-yl)amino]phenyl]-phenyl-methanone CAS Name: [3-nitro-4-[(1-propyl-4-piperidin-1-iumyl)amino]phenyl]-phenylmethanone IUPAC Name: [3-nitro-4-[(1-propylpiperidin-1-ium-4-yl)amino]phenyl]-phenylmethanone Traditional Name: [3-nitro-4-[(1-propylpiperidin-1-ium-4-yl)amino]phenyl]-phenyl-methanone Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3/c1-2-12-23-13-10-18(11-14-23)22-19-9-8-17(15-20(19)24(26)27)21(25)16-6-4-3-5-7-16/h3-9,15,18,22H,2,10-14H2,1H3/p+1