[4-[(7-methoxy-2-oxidanyl-naphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(7-methoxy-2-oxidanyl-naphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(2-hydroxy-7-methoxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(2-hydroxy-7-methoxy-1-naphthalenyl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[(2-hydroxy-7-methoxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C21H23N2O3S+ MolecularWeight: 383.48392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CCN(CC3)C(=O)C4=CC=CS4)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CCN(CC3)C(=O)C4=CC=CS4)O

InChI

InChI=1S/C21H22N2O3S/c1-26-16-6-4-15-5-7-19(24)18(17(15)13-16)14-22-8-10-23(11-9-22)21(25)20-3-2-12-27-20/h2-7,12-13,24H,8-11,14H2,1H3/p+1