1-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-3-phenyl-urea

Systemtic Name: 1-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-3-phenyl-urea Openeye Name: 1-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-3-phenyl-urea CAS Name: 1-[(Z)-1-[4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]ethylideneamino]-3-phenylurea IUPAC Name: 1-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-3-phenylurea Traditional Name: 1-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-3-phenyl-urea Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)NC1=CC=CC=C1)C2=CC(=C(C=C2)OC)C[NH+]3CCCC3

Isomeric SMILES

C/C(=N/NC(=O)NC1=CC=CC=C1)/C2=CC(=C(C=C2)OC)C[NH+]3CCCC3

InChI

InChI=1S/C21H26N4O2/c1-16(23-24-21(26)22-19-8-4-3-5-9-19)17-10-11-20(27-2)18(14-17)15-25-12-6-7-13-25/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H2,22,24,26)/p+1/b23-16-