6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine

Systemtic Name: 6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine Openeye Name: 6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine CAS Name: 6-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine IUPAC Name: 6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine Traditional Name: 6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine Formula: C19H24N3O+ MolecularWeight: 310.41336

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(N1)C=C(C=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(N1)C=C(C=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C19H23N3O/c1-2-4-17(5-3-1)22-11-9-21(10-12-22)15-16-6-7-19-18(14-16)20-8-13-23-19/h1-7,14,20H,8-13,15H2/p+1